CONFLIST HEB        HEBBK HEB01 HEB+1 

NATOM    HEBBK      0
NATOM    HEB01      69
NATOM    HEB+1      69

IATOM    HEB01 aCB  0
IATOM    HEB01 1HB  1
IATOM    HEB01 2HB  2
IATOM    HEB01 aCG  3
IATOM    HEB01 aND1 4
IATOM    HEB01 aHD1 5
IATOM    HEB01 aCE1 6
IATOM    HEB01 aHE1 7
IATOM    HEB01 aNE2 8
IATOM    HEB01 aCD2 9
IATOM    HEB01 aHD2 10
IATOM    HEB01 FE   11
IATOM    HEB01  CHA 12
IATOM    HEB01  CHB 13
IATOM    HEB01  CHC 14
IATOM    HEB01  CHD 15
IATOM    HEB01  N A 16
IATOM    HEB01  C1A 17
IATOM    HEB01  C2A 18
IATOM    HEB01  C3A 19
IATOM    HEB01  C4A 20
IATOM    HEB01  CMA 21
IATOM    HEB01  N B 22
IATOM    HEB01  C1B 23
IATOM    HEB01  C2B 24
IATOM    HEB01  C3B 25
IATOM    HEB01  CAB 26
IATOM    HEB01  CBB 27
IATOM    HEB01  C4B 28
IATOM    HEB01  CMB 29
IATOM    HEB01  N C 30
IATOM    HEB01  C1C 31
IATOM    HEB01  C2C 32
IATOM    HEB01  C3C 33
IATOM    HEB01  C4C 34
IATOM    HEB01  CMC 35
IATOM    HEB01  CAC 36
IATOM    HEB01  CBC 37
IATOM    HEB01  N D 38
IATOM    HEB01  C1D 39
IATOM    HEB01  C2D 40
IATOM    HEB01  C3D 41
IATOM    HEB01  C4D 42
IATOM    HEB01  CMD 43
IATOM    HEB01  HHA 44
IATOM    HEB01  HHB 45
IATOM    HEB01  HHC 46
IATOM    HEB01  HHD 47
IATOM    HEB01 1HMA 48
IATOM    HEB01 2HMA 49
IATOM    HEB01 3HMA 50
IATOM    HEB01 1HMB 51
IATOM    HEB01 2HMB 52
IATOM    HEB01 3HMB 53
IATOM    HEB01 1HAB 54
IATOM    HEB01 2HAB 55
IATOM    HEB01 1HBB 56
IATOM    HEB01 2HBB 57
IATOM    HEB01 3HBB 58
IATOM    HEB01 1HMC 59
IATOM    HEB01 2HMC 60
IATOM    HEB01 3HMC 61
IATOM    HEB01  HAC 62
IATOM    HEB01 1HBC 63
IATOM    HEB01 2HBC 64
IATOM    HEB01 3HBC 65
IATOM    HEB01 1HMD 66
IATOM    HEB01 2HMD 67
IATOM    HEB01 3HMD 68
IATOM    HEB+1 aCB  0
IATOM    HEB+1 1HB  1
IATOM    HEB+1 2HB  2
IATOM    HEB+1 aCG  3
IATOM    HEB+1 aND1 4
IATOM    HEB+1 aHD1 5
IATOM    HEB+1 aCE1 6
IATOM    HEB+1 aHE1 7
IATOM    HEB+1 aNE2 8
IATOM    HEB+1 aCD2 9
IATOM    HEB+1 aHD2 10
IATOM    HEB+1 FE   11
IATOM    HEB+1  CHA 12
IATOM    HEB+1  CHB 13
IATOM    HEB+1  CHC 14
IATOM    HEB+1  CHD 15
IATOM    HEB+1  N A 16
IATOM    HEB+1  C1A 17
IATOM    HEB+1  C2A 18
IATOM    HEB+1  C3A 19
IATOM    HEB+1  C4A 20
IATOM    HEB+1  CMA 21
IATOM    HEB+1  N B 22
IATOM    HEB+1  C1B 23
IATOM    HEB+1  C2B 24
IATOM    HEB+1  C3B 25
IATOM    HEB+1  CAB 26
IATOM    HEB+1  CBB 27
IATOM    HEB+1  C4B 28
IATOM    HEB+1  CMB 29
IATOM    HEB+1  N C 30
IATOM    HEB+1  C1C 31
IATOM    HEB+1  C2C 32
IATOM    HEB+1  C3C 33
IATOM    HEB+1  C4C 34
IATOM    HEB+1  CMC 35
IATOM    HEB+1  CAC 36
IATOM    HEB+1  CBC 37
IATOM    HEB+1  N D 38
IATOM    HEB+1  C1D 39
IATOM    HEB+1  C2D 40
IATOM    HEB+1  C3D 41
IATOM    HEB+1  C4D 42
IATOM    HEB+1  CMD 43
IATOM    HEB+1  HHA 44
IATOM    HEB+1  HHB 45
IATOM    HEB+1  HHC 46
IATOM    HEB+1  HHD 47
IATOM    HEB+1 1HMA 48
IATOM    HEB+1 2HMA 49
IATOM    HEB+1 3HMA 50
IATOM    HEB+1 1HMB 51
IATOM    HEB+1 2HMB 52
IATOM    HEB+1 3HMB 53
IATOM    HEB+1 1HAB 54
IATOM    HEB+1 2HAB 55
IATOM    HEB+1 1HBB 56
IATOM    HEB+1 2HBB 57
IATOM    HEB+1 3HBB 58
IATOM    HEB+1 1HMC 59
IATOM    HEB+1 2HMC 60
IATOM    HEB+1 3HMC 61
IATOM    HEB+1  HAC 62
IATOM    HEB+1 1HBC 63
IATOM    HEB+1 2HBC 64
IATOM    HEB+1 3HBC 65
IATOM    HEB+1 1HMD 66
IATOM    HEB+1 2HMD 67
IATOM    HEB+1 3HMD 68

ATOMNAME HEB01    0 aCB 
ATOMNAME HEB01    1 1HB 
ATOMNAME HEB01    2 2HB 
ATOMNAME HEB01    3 aCG 
ATOMNAME HEB01    4 aND1
ATOMNAME HEB01    5 aHD1
ATOMNAME HEB01    6 aCE1
ATOMNAME HEB01    7 aHE1
ATOMNAME HEB01    8 aNE2
ATOMNAME HEB01    9 aCD2
ATOMNAME HEB01   10 aHD2
ATOMNAME HEB01   11 FE  
ATOMNAME HEB01   12  CHA
ATOMNAME HEB01   13  CHB
ATOMNAME HEB01   14  CHC
ATOMNAME HEB01   15  CHD
ATOMNAME HEB01   16  N A
ATOMNAME HEB01   17  C1A
ATOMNAME HEB01   18  C2A
ATOMNAME HEB01   19  C3A
ATOMNAME HEB01   20  C4A
ATOMNAME HEB01   21  CMA
ATOMNAME HEB01   22  N B
ATOMNAME HEB01   23  C1B
ATOMNAME HEB01   24  C2B
ATOMNAME HEB01   25  C3B
ATOMNAME HEB01   26  CAB
ATOMNAME HEB01   27  CBB
ATOMNAME HEB01   28  C4B
ATOMNAME HEB01   29  CMB
ATOMNAME HEB01   30  N C
ATOMNAME HEB01   31  C1C
ATOMNAME HEB01   32  C2C
ATOMNAME HEB01   33  C3C
ATOMNAME HEB01   34  C4C
ATOMNAME HEB01   35  CMC
ATOMNAME HEB01   36  CAC
ATOMNAME HEB01   37  CBC
ATOMNAME HEB01   38  N D
ATOMNAME HEB01   39  C1D
ATOMNAME HEB01   40  C2D
ATOMNAME HEB01   41  C3D
ATOMNAME HEB01   42  C4D
ATOMNAME HEB01   43  CMD
ATOMNAME HEB01   44  HHA
ATOMNAME HEB01   45  HHB
ATOMNAME HEB01   46  HHC
ATOMNAME HEB01   47  HHD
ATOMNAME HEB01   48 1HMA
ATOMNAME HEB01   49 2HMA
ATOMNAME HEB01   50 3HMA
ATOMNAME HEB01   51 1HMB
ATOMNAME HEB01   52 2HMB
ATOMNAME HEB01   53 3HMB
ATOMNAME HEB01   54 1HAB
ATOMNAME HEB01   55 2HAB
ATOMNAME HEB01   56 1HBB
ATOMNAME HEB01   57 2HBB
ATOMNAME HEB01   58 3HBB
ATOMNAME HEB01   59 1HMC
ATOMNAME HEB01   60 2HMC
ATOMNAME HEB01   61 3HMC
ATOMNAME HEB01   62  HAC
ATOMNAME HEB01   63 1HBC
ATOMNAME HEB01   64 2HBC
ATOMNAME HEB01   65 3HBC
ATOMNAME HEB01   66 1HMD
ATOMNAME HEB01   67 2HMD
ATOMNAME HEB01   68 3HMD
ATOMNAME HEB+1    0 aCB 
ATOMNAME HEB+1    1 1HB 
ATOMNAME HEB+1    2 2HB 
ATOMNAME HEB+1    3 aCG 
ATOMNAME HEB+1    4 aND1
ATOMNAME HEB+1    5 aHD1
ATOMNAME HEB+1    6 aCE1
ATOMNAME HEB+1    7 aHE1
ATOMNAME HEB+1    8 aNE2
ATOMNAME HEB+1    9 aCD2
ATOMNAME HEB+1   10 aHD2
ATOMNAME HEB+1   11 FE  
ATOMNAME HEB+1   12  CHA
ATOMNAME HEB+1   13  CHB
ATOMNAME HEB+1   14  CHC
ATOMNAME HEB+1   15  CHD
ATOMNAME HEB+1   16  N A
ATOMNAME HEB+1   17  C1A
ATOMNAME HEB+1   18  C2A
ATOMNAME HEB+1   19  C3A
ATOMNAME HEB+1   20  C4A
ATOMNAME HEB+1   21  CMA
ATOMNAME HEB+1   22  N B
ATOMNAME HEB+1   23  C1B
ATOMNAME HEB+1   24  C2B
ATOMNAME HEB+1   25  C3B
ATOMNAME HEB+1   26  CAB
ATOMNAME HEB+1   27  CBB
ATOMNAME HEB+1   28  C4B
ATOMNAME HEB+1   29  CMB
ATOMNAME HEB+1   30  N C
ATOMNAME HEB+1   31  C1C
ATOMNAME HEB+1   32  C2C
ATOMNAME HEB+1   33  C3C
ATOMNAME HEB+1   34  C4C
ATOMNAME HEB+1   35  CMC
ATOMNAME HEB+1   36  CAC
ATOMNAME HEB+1   37  CBC
ATOMNAME HEB+1   38  N D
ATOMNAME HEB+1   39  C1D
ATOMNAME HEB+1   40  C2D
ATOMNAME HEB+1   41  C3D
ATOMNAME HEB+1   42  C4D
ATOMNAME HEB+1   43  CMD
ATOMNAME HEB+1   44  HHA
ATOMNAME HEB+1   45  HHB
ATOMNAME HEB+1   46  HHC
ATOMNAME HEB+1   47  HHD
ATOMNAME HEB+1   48 1HMA
ATOMNAME HEB+1   49 2HMA
ATOMNAME HEB+1   50 3HMA
ATOMNAME HEB+1   51 1HMB
ATOMNAME HEB+1   52 2HMB
ATOMNAME HEB+1   53 3HMB
ATOMNAME HEB+1   54 1HAB
ATOMNAME HEB+1   55 2HAB
ATOMNAME HEB+1   56 1HBB
ATOMNAME HEB+1   57 2HBB
ATOMNAME HEB+1   58 3HBB
ATOMNAME HEB+1   59 1HMC
ATOMNAME HEB+1   60 2HMC
ATOMNAME HEB+1   61 3HMC
ATOMNAME HEB+1   62  HAC
ATOMNAME HEB+1   63 1HBC
ATOMNAME HEB+1   64 2HBC
ATOMNAME HEB+1   65 3HBC
ATOMNAME HEB+1   66 1HMD
ATOMNAME HEB+1   67 2HMD
ATOMNAME HEB+1   68 3HMD




























#1.Basic Conformer Information: name, pka, em, rxn. 
# THIS SECTION IS TO BE CALIBRATED !!!
#23456789A123456789B123456789C
PROTON   HEB01      0
PKA      HEB01      0.0
ELECTRON HEB01      0
EM       HEB01      0.0
RXN      HEB01      -16.258

PROTON   HEB+1      0
PKA      HEB+1      0.0
ELECTRON HEB+1      -1
EM       HEB+1      -220
RXN      HEB+1      -19.677

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  HEB01 aCB  sp3       0    aCG  0    1HB  0    2HB  LIG   CA
CONNECT  HEB01 1HB  s         0    aCB
CONNECT  HEB01 2HB  s         0    aCB
CONNECT  HEB01 aCG  sp2       0    aCB  0    aND1 0    aCD2
CONNECT  HEB01 aND1 sp2       0    aCG  0    aCE1 0    aHD1
CONNECT  HEB01 aHD1 s         0    aND1
CONNECT  HEB01 aCE1 sp2       0    aND1 0    aNE2 0    aHE1
CONNECT  HEB01 aHE1 s         0    aCE1
CONNECT  HEB01 aNE2 sp2       0    aCE1 0    aCD2 0    FE
CONNECT  HEB01 aCD2 sp2       0    aNE2 0    aCG  0    aHD2
CONNECT  HEB01 aHD2 s         0    aCD2


CONNECT  HEB01 FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0    aNE2   
CONNECT  HEB01  CHA sp2       0     C4D 0     C1A 0     HHA
CONNECT  HEB01  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  HEB01  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  HEB01  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  HEB01  N A sp2       0    FE   0     C1A 0     C4A
CONNECT  HEB01  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  HEB01  C2A sp2       0     C1A 0     C3A LIG   CAA
CONNECT  HEB01  C3A sp2       0     C2A 0     CMA 0     C4A
CONNECT  HEB01  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  HEB01  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA 
CONNECT  HEB01  N B sp2       0    FE   0     C1B 0     C4B
CONNECT  HEB01  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  HEB01  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  HEB01  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  HEB01  CAB sp3       0     C3B 0     CBB 0    1HAB 0    2HAB
CONNECT  HEB01  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  HEB01  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  HEB01  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  HEB01  N C sp2       0    FE   0     C1C 0     C4C
CONNECT  HEB01  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  HEB01  C2C sp2       0     C1C 0     CMC 0     C3C
CONNECT  HEB01  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  HEB01  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  HEB01  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  HEB01  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  HEB01  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  HEB01  N D sp2       0    FE   0     C1D 0     C4D
CONNECT  HEB01  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  HEB01  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  HEB01  C3D sp2       0     C2D 0     C4D LIG   CAD
CONNECT  HEB01  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  HEB01  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  HEB01  HHA s         0     CHA
CONNECT  HEB01  HHB s         0     CHB
CONNECT  HEB01  HHC s         0     CHC
CONNECT  HEB01  HHD s         0     CHD
CONNECT  HEB01 1HMA s         0     CMA
CONNECT  HEB01 2HMA s         0     CMA
CONNECT  HEB01 3HMA s         0     CMA
CONNECT  HEB01 1HMB s         0     CMB
CONNECT  HEB01 2HMB s         0     CMB
CONNECT  HEB01 3HMB s         0     CMB
CONNECT  HEB01 1HAB s         0     CAB
CONNECT  HEB01 2HAB s         0     CAB
CONNECT  HEB01 1HBB s         0     CBB
CONNECT  HEB01 2HBB s         0     CBB
CONNECT  HEB01 3HBB s         0     CBB
CONNECT  HEB01 1HMC s         0     CMC
CONNECT  HEB01 2HMC s         0     CMC
CONNECT  HEB01 3HMC s         0     CMC
CONNECT  HEB01  HAC s         0     CAC
CONNECT  HEB01 1HBC s         0     CBC
CONNECT  HEB01 2HBC s         0     CBC
CONNECT  HEB01 3HBC s         0     CBC
CONNECT  HEB01 1HMD s         0     CMD
CONNECT  HEB01 2HMD s         0     CMD
CONNECT  HEB01 3HMD s         0     CMD

CONNECT  HEB+1 aCB  sp3       0    aCG  0    1HB  0    2HB  LIG   CA
CONNECT  HEB+1 1HB  s         0    aCB
CONNECT  HEB+1 2HB  s         0    aCB
CONNECT  HEB+1 aCG  sp2       0    aCB  0    aND1 0    aCD2
CONNECT  HEB+1 aND1 sp2       0    aCG  0    aCE1 0    aHD1
CONNECT  HEB+1 aHD1 s         0    aND1
CONNECT  HEB+1 aCE1 sp2       0    aND1 0    aNE2 0    aHE1
CONNECT  HEB+1 aHE1 s         0    aCE1
CONNECT  HEB+1 aNE2 sp2       0    aCE1 0    aCD2 0    FE
CONNECT  HEB+1 aCD2 sp2       0    aNE2 0    aCG  0    aHD2
CONNECT  HEB+1 aHD2 s         0    aCD2

CONNECT  HEB+1 FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0    aNE2 0    
CONNECT  HEB+1  CHA sp2       0     C4D 0     C1A 0     HHA
CONNECT  HEB+1  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  HEB+1  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  HEB+1  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  HEB+1  N A sp2       0    FE   0     C1A 0     C4A
CONNECT  HEB+1  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  HEB+1  C2A sp2       0     C1A 0     C3A LIG   CAA
CONNECT  HEB+1  C3A sp2       0     C2A 0     CMA 0     C4A
CONNECT  HEB+1  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  HEB+1  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA  
CONNECT  HEB+1  N B sp2       0    FE   0     C1B 0     C4B
CONNECT  HEB+1  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  HEB+1  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  HEB+1  C3B sp2       0     C2B 0     C4B 0     CAB
CONNECT  HEB+1  CAB sp3       0     C3B 0     CBB 0    1HAB 0    2HAB
CONNECT  HEB+1  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  HEB+1  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  HEB+1  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  HEB+1  N C sp2       0    FE   0     C1C 0     C4C
CONNECT  HEB+1  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  HEB+1  C2C sp2       0     C1C 0     CMC 0     C3C
CONNECT  HEB+1  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  HEB+1  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  HEB+1  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  HEB+1  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  HEB+1  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  HEB+1  N D sp2       0    FE   0     C1D 0     C4D
CONNECT  HEB+1  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  HEB+1  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  HEB+1  C3D sp2       0     C2D 0     C4D LIG   CAD
CONNECT  HEB+1  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  HEB+1  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  HEB+1  HHA s         0     CHA
CONNECT  HEB+1  HHB s         0     CHB
CONNECT  HEB+1  HHC s         0     CHC
CONNECT  HEB+1  HHD s         0     CHD
CONNECT  HEB+1 1HMA s         0     CMA
CONNECT  HEB+1 2HMA s         0     CMA
CONNECT  HEB+1 3HMA s         0     CMA
CONNECT  HEB+1 1HMB s         0     CMB
CONNECT  HEB+1 2HMB s         0     CMB
CONNECT  HEB+1 3HMB s         0     CMB
CONNECT  HEB+1 1HAB s         0     CAB
CONNECT  HEB+1 2HAB s         0     CAB
CONNECT  HEB+1 1HBB s         0     CBB
CONNECT  HEB+1 2HBB s         0     CBB
CONNECT  HEB+1 3HBB s         0     CBB
CONNECT  HEB+1 1HMC s         0     CMC
CONNECT  HEB+1 2HMC s         0     CMC
CONNECT  HEB+1 3HMC s         0     CMC
CONNECT  HEB+1  HAC s         0     CAC
CONNECT  HEB+1 1HBC s         0     CBC
CONNECT  HEB+1 2HBC s         0     CBC
CONNECT  HEB+1 3HBC s         0     CBC
CONNECT  HEB+1 1HMD s         0     CMD
CONNECT  HEB+1 2HMD s         0     CMD
CONNECT  HEB+1 3HMD s         0     CMD

#3.Atom Parameters: Partial Charges and Radii
# Radii from "Bondi, J.Phys.Chem., 68, 441, 1964."
RADIUS   HEB   FE   1.45
RADIUS   HEB    CAB 1.80
RADIUS   HEB    CBB 1.80
RADIUS   HEB    CHA 1.80
RADIUS   HEB    CHB 1.80
RADIUS   HEB    CHC 1.80
RADIUS   HEB    CHD 1.80
RADIUS   HEB    N A 1.50
RADIUS   HEB    C1A 1.80
RADIUS   HEB    C2A 1.80
RADIUS   HEB    C3A 1.80
RADIUS   HEB    C4A 1.80
RADIUS   HEB    CMA 1.80
RADIUS   HEB    N B 1.50
RADIUS   HEB    C1B 1.80
RADIUS   HEB    C2B 1.80
RADIUS   HEB    C3B 1.80
RADIUS   HEB    C4B 1.80
RADIUS   HEB    CMB 1.80
RADIUS   HEB    N C 1.50
RADIUS   HEB    C1C 1.80
RADIUS   HEB    C2C 1.80
RADIUS   HEB    C3C 1.80
RADIUS   HEB    C4C 1.80
RADIUS   HEB    CMC 1.80
RADIUS   HEB    N D 1.50
RADIUS   HEB    C1D 1.80
RADIUS   HEB    C2D 1.80
RADIUS   HEB    C3D 1.80
RADIUS   HEB    C4D 1.80
RADIUS   HEB    CMD 1.80
RADIUS   HEB    CAC 1.70
RADIUS   HEB    CBC 1.70
RADIUS   HEB    HHA 1.00
RADIUS   HEB    HHB 1.00
RADIUS   HEB    HHC 1.00
RADIUS   HEB    HHD 1.00
RADIUS   HEB   1HMA 1.00
RADIUS   HEB   2HMA 1.00
RADIUS   HEB   3HMA 1.00
RADIUS   HEB   1HMB 1.00
RADIUS   HEB   2HMB 1.00
RADIUS   HEB   3HMB 1.00
RADIUS   HEB   1HAB 1.00
RADIUS   HEB   2HAB 1.00
RADIUS   HEB   1HBB 1.00
RADIUS   HEB   2HBB 1.00
RADIUS   HEB   3HBB 1.00
RADIUS   HEB   1HMC 1.00
RADIUS   HEB   2HMC 1.00
RADIUS   HEB   3HMC 1.00
RADIUS   HEB    HAC 1.00
RADIUS   HEB   1HBC 1.00
RADIUS   HEB   2HBC 1.00
RADIUS   HEB   3HBC 1.00
RADIUS   HEB   1HMD 1.00
RADIUS   HEB   2HMD 1.00
RADIUS   HEB   3HMD 1.00
RADIUS   HEB   aCB  2.00
RADIUS   HEB   1HB  1.00
RADIUS   HEB   2HB  1.00
RADIUS   HEB   aCG  1.70
RADIUS   HEB   aND1 1.50
RADIUS   HEB   aHD1 1.00
RADIUS   HEB   aCE1 1.70
RADIUS   HEB   aHE1 1.00
RADIUS   HEB   aNE2 1.50
RADIUS   HEB   aCD2 1.70
RADIUS   HEB   aHD2 1.00
RADIUS   HEB   bCB  2.00
RADIUS   HEB   3HB  1.00
RADIUS   HEB   4HB  1.00
RADIUS   HEB   bCG  1.70
RADIUS   HEB   bND1 1.50
RADIUS   HEB   bHD1 1.00
RADIUS   HEB   bCE1 1.70
RADIUS   HEB   bHE1 1.00
RADIUS   HEB   bNE2 1.50
RADIUS   HEB   bCD2 1.70
RADIUS   HEB   bHD2 1.00

CHARGE   HEB01  aCB -0.143303
CHARGE   HEB01  1HB 0.054197
CHARGE   HEB01  2HB 0.056097
CHARGE   HEB01  aCG 0.077197
CHARGE   HEB01 aND1 -0.375803
CHARGE   HEB01 aHD1 0.038597
CHARGE   HEB01 aCE1 0.234197
CHARGE   HEB01 aHE1 0.136997
CHARGE   HEB01 aNE2 -0.416003
CHARGE   HEB01 aCD2 -0.008003
CHARGE   HEB01 aHD2 0.237397
CHARGE   HEB01   FE 0.896397
CHARGE   HEB01  CHA -0.098603
CHARGE   HEB01  CHB -0.080003
CHARGE   HEB01  CHC -0.099203
CHARGE   HEB01  CHD -0.100303
CHARGE   HEB01  N A -0.520103
CHARGE   HEB01  C1A 0.136697
CHARGE   HEB01  C2A -0.105303
CHARGE   HEB01  C3A 0.007397
CHARGE   HEB01  C4A 0.148097
CHARGE   HEB01  CMA 0.186097
CHARGE   HEB01  N B -0.520003
CHARGE   HEB01  C1B 0.139797
CHARGE   HEB01  C2B -0.018003
CHARGE   HEB01  C3B -0.122403
CHARGE   HEB01  C4B 0.146797
CHARGE   HEB01  CMB -0.151303
CHARGE   HEB01  N C -0.522603
CHARGE   HEB01  C1C 0.140697
CHARGE   HEB01  C2C -0.028603
CHARGE   HEB01  C3C -0.026803
CHARGE   HEB01  C4C 0.143697
CHARGE   HEB01  CMC -0.151703
CHARGE   HEB01  CAC -0.084203
CHARGE   HEB01  CBC -0.181303
CHARGE   HEB01  N D -0.526503
CHARGE   HEB01  C1D 0.143197
CHARGE   HEB01  C2D -0.026903
CHARGE   HEB01  C3D -0.120003
CHARGE   HEB01  C4D 0.134797
CHARGE   HEB01  CMD -0.151603
CHARGE   HEB01  HHA 0.056397
CHARGE   HEB01  HHB 0.071997
CHARGE   HEB01  HHC 0.056897
CHARGE   HEB01  HHD 0.057297
CHARGE   HEB01 1HMA 0.126097
CHARGE   HEB01 2HMA 0.126097
CHARGE   HEB01 3HMA 0.126097
CHARGE   HEB01 1HMB 0.097877
CHARGE   HEB01 2HMB 0.080277
CHARGE   HEB01 3HMB 0.087077
CHARGE   HEB01 1HMC 0.095677
CHARGE   HEB01 2HMC 0.041397
CHARGE   HEB01 3HMC 0.036397
CHARGE   HEB01  HAC 0.102277
CHARGE   HEB01 1HBC 0.067297
CHARGE   HEB01 2HBC 0.075437
CHARGE   HEB01 3HBC 0.087637
CHARGE   HEB01 1HMD 0.049197
CHARGE   HEB01 2HMD 0.036897
CHARGE   HEB01 3HMD 0.041897
CHARGE   HEB+1  aCB -0.151829
CHARGE   HEB+1  1HB 0.054571
CHARGE   HEB+1  2HB 0.079471
CHARGE   HEB+1  aCG 0.125271
CHARGE   HEB+1 aND1 -0.359429
CHARGE   HEB+1 aHD1 0.253971
CHARGE   HEB+1 aCE1 0.250571
CHARGE   HEB+1 aHE1 0.138071
CHARGE   HEB+1 aNE2 -0.432329
CHARGE   HEB+1 aCD2 0.008871
CHARGE   HEB+1 aHD2 0.107171
CHARGE   HEB+1   FE 0.924371
CHARGE   HEB+1  CHA -0.070329
CHARGE   HEB+1  CHB -0.064129
CHARGE   HEB+1  CHC -0.070229
CHARGE   HEB+1  CHD -0.064329
CHARGE   HEB+1  N A -0.523129
CHARGE   HEB+1  C1A 0.154871
CHARGE   HEB+1  C2A -0.071129
CHARGE   HEB+1  C3A 0.022971
CHARGE   HEB+1  C4A 0.188971
CHARGE   HEB+1  CMA 0.198271
CHARGE   HEB+1  N B -0.532429
CHARGE   HEB+1  C1B 0.162571
CHARGE   HEB+1  C2B 0.020371
CHARGE   HEB+1  C3B -0.106429
CHARGE   HEB+1  C4B 0.186471
CHARGE   HEB+1  CMB -0.142829
CHARGE   HEB+1  N C -0.525929
CHARGE   HEB+1  C1C 0.155871
CHARGE   HEB+1  C2C 0.000871
CHARGE   HEB+1  C3C -0.015129
CHARGE   HEB+1  C4C 0.178171
CHARGE   HEB+1  CMC -0.144429
CHARGE   HEB+1  CAC -0.091229
CHARGE   HEB+1  CBC -0.155229
CHARGE   HEB+1  N D -0.533429
CHARGE   HEB+1  C1D 0.154671
CHARGE   HEB+1  C2D 0.013171
CHARGE   HEB+1  C3D -0.107029
CHARGE   HEB+1  C4D 0.174571
CHARGE   HEB+1  CMD -0.143429
CHARGE   HEB+1  HHA 0.079771
CHARGE   HEB+1  HHB 0.089771
CHARGE   HEB+1  HHC 0.079771
CHARGE   HEB+1  HHD 0.081071
CHARGE   HEB+1 1HMA 0.142771
CHARGE   HEB+1 2HMA 0.142771
CHARGE   HEB+1 3HMA 0.142771
CHARGE   HEB+1 1HMB 0.102431
CHARGE   HEB+1 2HMB 0.089931
CHARGE   HEB+1 3HMB 0.091531
CHARGE   HEB+1 1HMC 0.101531
CHARGE   HEB+1 2HMC 0.063751
CHARGE   HEB+1 3HMC 0.051751
CHARGE   HEB+1  HAC 0.107671
CHARGE   HEB+1 1HBC 0.071571
CHARGE   HEB+1 2HBC 0.073271
CHARGE   HEB+1 3HBC 0.072271
CHARGE   HEB+1 1HMD 0.060571
CHARGE   HEB+1 2HMD 0.053071
CHARGE   HEB+1 3HMD 0.052171
